Information card for entry 7023690

Structure parameters

• Formula: C33 H45 Cl2 N7 O3 Zn
• Calculated formula: C33 H45 Cl2 N7 O3 Zn
• SMILES: C1c2cccc([n]2[Zn]2([N]1(Cc1cccc([n]21)NC(=O)C(C)(C)C)Cc1cccc(n1)NC(=O)C(C)(C)C)(Cl)Cl)NC(=O)C(C)(C)C
• Title of publication: Co-ordinative properties of a tripodal trisamide ligand with a capped octahedral preference.
• Authors of publication: Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 41
• Pages of publication: 14826 - 14835
• a: 35.499 ± 0.0004 Å
• b: 9.125 ± 0.0007 Å
• c: 24.57 ± 0.0012 Å
• α: 90°
• β: 119.271 ± 0.002°
• γ: 90°
• Cell volume: 6942.7 ± 0.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.2081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No